tert-Butyl N-(4-aminobutyl)carbamate supplier

Name
tert-Butyl N-(4-aminobutyl)carbamate
EINECS
CAS No. 68076-36-8
Article Data140
CAS DataBase
Density 0.975 g/cm³
Solubility
Melting Point
Formula C₉H₂₀N₂O₂
Boiling Point 292.872 °C at 760 mmHg
Molecular Weight 188.27
Flash Point 130.924 °C
Transport Information
Appearance
Safety 26-36/37/39-45
Risk Codes 34
Molecular Structure
Hazard Symbols C
Synonyms N-(tert-Butoxycarbonyl)putrescine;N-Boc-butane-1,4-diamine;N-tert-Butoxycarbonyl-1,4-diaminobutane;tert-Butyl4-aminobutylcarbamate;tert-Butyl N-(4-aminobutyl)carbamate;Carbamicacid, (4-aminobutyl)-, 1,1-dimethylethyl ester (9CI);1,1-Dimethylethyl(4-aminobutyl)carbamate;1-Amino-4-[(tert-butoxycarbonyl)amino]butane;1-[(tert-Butoxycarbonyl)amino]-4-aminobutane;4-(tert-Butoxycarbonylamino)butylamine;4-Aminobutylcarbamic acid tert-butylester;4-[(tert-Butoxycarbonyl)amino]-1-butylamine;N-(4-Aminobutyl)carbamicacid tert-butyl ester;N-(4-Aminobutyl)carbamic acid tert-butyl ester;N-(tert-Butoxycarbonyl)-1,4-butanediamine;
PSA 64.35000
LogP 2.34120

tert-Butyl N-(4-aminobutyl)carbamate Specification

The Carbamic acid,N-(4-aminobutyl)-, 1,1-dimethylethyl ester with the CAS number 68076-36-8 is also called 1,1-Dimethylethyl(4-aminobutyl)carbamate. Both the systematic name and IUPAC name are tert-butyl N-(4-aminobutyl)carbamate. Its molecular formula is C₉H₂₀N₂O₂. This chemical belongs to the following product categories: (1)Pharmacetical; (2)Monoprotected Diaminoalkanes; (3)N-Boc-diaminoalkanes.

The properties of the Carbamic acid,N-(4-aminobutyl)-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 1.12; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 64.35 Å²; (11)Index of Refraction: 1.457; (12)Molar Refractivity: 52.615 cm³; (13)Molar Volume: 193.12 cm³; (14)Polarizability: 20.858×10^-24cm³; (15)Surface Tension: 34.205 dyne/cm; (16)Enthalpy of Vaporization: 53.24 kJ/mol; (17)Vapour Pressure: 0.002 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical can cause burns. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Finally in case of accident or if you feel unwell, you should seek medical advice immediately (show the label whenever possible).

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)NCCCCN
(2)InChI: InChI=1/C9H20N2O2/c1-9(2,3)13-8(12)11-7-5-4-6-10/h4-7,10H2,1-3H3,(H,11,12)
(3)InChIKey: ZFQWJXFJJZUVPI-UHFFFAOYAX

Product Name

tert-Butyl N-(4-aminobutyl)carbamate

tert-Butyl N-(4-aminobutyl)carbamate Specification

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